NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4647 8.2893 120.3493 55.2265 32.2473 173.7416 2 E 4.5986 8.2875 121.4701 52.2483 32.6850 172.6072 3 E 4.3752 9.1485 119.5553 57.5573 31.9984 176.9859 4 L 4.8522 7.9766 121.0565 52.2937 43.6940 174.6725 5 Q 4.1461 8.2265 122.4439 57.0988 28.4293 176.1402 6 D 4.6067 7.3806 118.2226 52.4731 42.8110 176.3898 7 D 4.6479 7.6056 126.9085 51.2177 39.9580 174.7957 8 Y 4.6572 7.5022 122.5947 57.3452 41.4705 172.9573 9 E 4.1056 7.4419 118.9684 55.2950 32.1947 176.4354 10 D 4.7936 8.1456 131.6914 54.9345 39.3639 176.6481 11 M 4.8136 7.5338 113.0958 54.6265 34.1555 175.0252 12 M 4.6309 7.5410 112.7496 55.1874 34.2956 173.6557 13 E 4.6139 8.2894 115.6799 55.2184 32.5475 176.4115 14 E 4.2301 8.2997 123.1569 56.0115 27.6749 176.2425 15 N 4.4421 7.7709 122.0597 54.5350 39.0326 174.2818 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.46 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 E 8.29 4.60 0.00 2.30 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 3 E 9.15 4.38 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 4 L 7.98 4.85 0.00 1.57 1.50 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.23 4.15 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 6 D 7.38 4.61 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.61 4.65 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.50 4.66 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.44 4.11 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 10 D 8.15 4.79 0.00 2.54 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.53 4.81 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 12 M 7.54 4.63 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 13 E 8.29 4.61 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 14 E 8.30 4.23 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 15 N 7.77 4.44 0.00 2.69 2.72 0.00 0.00 7.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00